N~2~-(4-methylphenyl)-6-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,3,5-triazine-2,4-diamine
Chemical Structure Depiction of
N~2~-(4-methylphenyl)-6-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,3,5-triazine-2,4-diamine
N~2~-(4-methylphenyl)-6-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,3,5-triazine-2,4-diamine
Compound characteristics
| Compound ID: | Y021-1543 |
| Compound Name: | N~2~-(4-methylphenyl)-6-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,3,5-triazine-2,4-diamine |
| Molecular Weight: | 328.4 |
| Molecular Formula: | C14 H16 N8 S |
| Smiles: | Cc1ccc(cc1)Nc1nc(CSc2nncn2C)nc(N)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.2293 |
| logD: | 2.2188 |
| logSw: | -2.4655 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.102 |
| InChI Key: | MCSWDMPGSLFIKN-UHFFFAOYSA-N |